Triazine

Triazine

A pyrimidine QSAR dataset. The the goal is to predict the inhibition of dihydrofolate reductase by pyrimidines.

Original source: sourceforge.net

Versions

  • Triazine (by Arnaud Barragao)

Dataset details

Associated task:
Regression
Domain:
Medicine
Data types:
Size:
200 KB
Count of tables:
2
Count of rows:
1,302
Count of columns:
14
Missing values:
No
Compound keys:
No
Loops:
No
Type:
Real
Instance count:
186
Target table:
molecule
Target column:
activity
Target ID:
molecule_id
Target timestamp:
?

How to download the dataset

The datasets are publicly available directly from MySQL database.

  1. Open your favourite MySQL client (for example MySQL Workbench)
  2. Use following credentials:
    • hostname: relational.fit.cvut.cz
    • port: 3306
    • username: guest
    • password: relational
  3. Export "Triazine" database (or other version of the dataset, if available) in your favourite format (e.g. CSV or SQL dump).